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    Influence of fluorinated extractant aggregation in diluent on extraction of salicylic acid: Evidence from equilibrium, SAXS and molecular dynamics simulation
    (Elsevier Science Inc, 2018) Wu, Xue; Chang, Zhidong; Feng, Jingge; Dang, Hui; Uslu, Hasan; Li, Wenjun
    In order to get optimal extraction performance as well as ultra-low solvent residual, the extraction behavior of tris(2,2,3,3,4,4,4-heptafluorobutyl) phosphate (FTBP) dissolved in 2,3,4,5,6-Pentafluorotoluene (FB) was evaluated to investigate the influence of the aggregation state on the extraction of salicylic acid (SA). The effect of SA distribution and water content on aggregation structure in organic phase was assessed through analysis of SAXS data. Based on molecular dynamic simulation, FTBP tended to aggregate with the existence of FB to accommdate more SA molcules. Water in this case was not the critical factor for aggregation formation due to the hydrophobicity of fluorinated solvents. (C) 2018 The Korean Society of Industrial and Engineering Chemistry. Published by Elsevier B.V. All rights reserved.